2-cyclopropyl-1,3-thiazole-5-sulfonyl fluoride

C6H6FNO2S2 — CID 125453634

IUPAC2-cyclopropyl-1,3-thiazole-5-sulfonyl fluoride
SMILESO=S(=O)(F)c1cnc(C2CC2)s1
InChIInChI=1S/C6H6FNO2S2/c7-12(9,10)5-3-8-6(11-5)4-1-2-4/h3-4H,1-2H2
InChIKeyMTVHOIACEFCVBI-UHFFFAOYSA-N
MW207.25 g/mol
LogP1.68
Rot. Bonds2

About 2-cyclopropyl-1,3-thiazole-5-sulfonyl fluoride

2-cyclopropyl-1,3-thiazole-5-sulfonyl fluoride (PubChem CID 125453634) has the molecular formula C6H6FNO2S2 and a molecular weight of 207.25 g/mol. Its IUPAC name is 2-cyclopropyl-1,3-thiazole-5-sulfonyl fluoride.

Molecular Properties

Compound Name2-cyclopropyl-1,3-thiazole-5-sulfonyl fluoride
PubChem CID125453634
Molecular FormulaC6H6FNO2S2
Molecular Weight207.25 g/mol
Exact Mass206.98
IUPAC Name2-cyclopropyl-1,3-thiazole-5-sulfonyl fluoride
SMILESO=S(=O)(F)c1cnc(C2CC2)s1
InChIInChI=1S/C6H6FNO2S2/c7-12(9,10)5-3-8-6(11-5)4-1-2-4/h3-4H,1-2H2
InChIKeyMTVHOIACEFCVBI-UHFFFAOYSA-N
XLogP1.68
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1,3-thiazole-5-sulfonyl fluoride?
The IUPAC name of 2-cyclopropyl-1,3-thiazole-5-sulfonyl fluoride (CID 125453634) is 2-cyclopropyl-1,3-thiazole-5-sulfonyl fluoride.
What is the SMILES notation for 2-cyclopropyl-1,3-thiazole-5-sulfonyl fluoride?
The canonical SMILES for 2-cyclopropyl-1,3-thiazole-5-sulfonyl fluoride is O=S(=O)(F)c1cnc(C2CC2)s1.
What is the InChIKey of 2-cyclopropyl-1,3-thiazole-5-sulfonyl fluoride?
The InChIKey is MTVHOIACEFCVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FNO2S2/c7-12(9,10)5-3-8-6(11-5)4-1-2-4/h3-4H,1-2H2.
What are the key properties of 2-cyclopropyl-1,3-thiazole-5-sulfonyl fluoride?
2-cyclopropyl-1,3-thiazole-5-sulfonyl fluoride has a molecular weight of 207.25 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1,3-thiazole-5-sulfonyl fluoride is sourced from PubChem (CID 125453634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).